==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NON-HEME IRON PROTEIN 04-JUL-97 1DXG . COMPND 2 MOLECULE: DESULFOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR M.ARCHER,R.HUBER,M.J.ROMAO . 72 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 43.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 5 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 28 0, 0.0 21,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 179.9 4.2 30.9 16.4 2 2 A N > - 0 0 91 19,-0.2 3,-2.5 1,-0.1 16,-0.3 -0.682 360.0 -89.5 -99.7 151.9 7.6 30.6 14.7 3 3 A E T 3 S+ 0 0 136 -2,-0.3 16,-0.2 1,-0.3 -1,-0.1 -0.172 113.9 22.6 -51.9 131.3 8.6 28.4 11.7 4 4 A G T 3 S+ 0 0 40 14,-3.2 -1,-0.3 1,-0.3 15,-0.1 0.211 89.6 131.7 92.3 -16.4 9.9 25.0 13.0 5 5 A D < - 0 0 29 -3,-2.5 13,-3.0 13,-0.1 2,-0.4 -0.380 47.8-143.2 -68.8 152.3 8.0 25.1 16.4 6 6 A V E -A 17 0A 43 11,-0.2 30,-3.1 -3,-0.1 2,-0.4 -0.945 14.6-165.8-117.4 134.3 6.0 22.1 17.5 7 7 A Y E -AB 16 35A 42 9,-2.7 9,-2.7 -2,-0.4 2,-0.4 -0.960 1.4-159.3-124.7 141.1 2.7 22.5 19.3 8 8 A K E -AB 15 34A 69 26,-2.5 26,-3.0 -2,-0.4 2,-0.7 -0.929 16.5-136.7-120.0 138.7 0.8 19.9 21.2 9 9 A C > - 0 0 1 5,-2.7 4,-1.8 -2,-0.4 5,-0.1 -0.867 15.7-155.9 -88.2 118.1 -2.9 19.8 22.3 10 10 A E T 4 S+ 0 0 92 -2,-0.7 -1,-0.1 22,-0.3 19,-0.1 0.768 86.1 49.7 -66.8 -25.7 -2.9 18.5 25.9 11 11 A L T 4 S+ 0 0 108 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.949 126.0 17.6 -83.6 -45.0 -6.4 17.1 25.7 12 12 A C T 4 S- 0 0 43 2,-0.1 48,-0.3 16,-0.1 -2,-0.2 0.490 97.1-122.6-108.0 -4.0 -6.5 15.0 22.5 13 13 A G < + 0 0 26 -4,-1.8 2,-0.1 1,-0.2 -3,-0.1 0.495 53.1 155.8 80.6 6.6 -2.7 14.6 21.9 14 14 A Q - 0 0 0 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.4 -0.456 23.9-163.1 -71.1 137.1 -2.6 16.1 18.4 15 15 A V E -AC 8 57A 12 42,-2.2 41,-2.9 -7,-0.2 42,-1.7 -0.984 8.7-178.2-123.2 130.4 0.8 17.5 17.6 16 16 A V E -AC 7 55A 0 -9,-2.7 -9,-2.7 -2,-0.4 2,-0.4 -0.913 18.5-142.0-126.9 156.0 1.5 19.9 14.7 17 17 A K E -AC 6 54A 79 37,-2.6 37,-2.2 -2,-0.3 2,-0.6 -0.948 24.9-122.4-110.3 135.4 4.7 21.5 13.3 18 18 A V E + C 0 53A 1 -13,-3.0 -14,-3.2 -2,-0.4 35,-0.3 -0.690 32.9 171.2 -80.7 119.3 4.6 25.2 12.2 19 19 A L E S+ 0 0 67 33,-2.9 2,-0.4 -2,-0.6 34,-0.2 0.724 74.6 23.9 -95.3 -31.9 5.7 25.5 8.5 20 20 A E E S- C 0 52A 108 32,-1.7 32,-2.1 -18,-0.1 -1,-0.3 -0.985 88.0-124.9-138.9 123.0 4.8 29.1 7.9 21 21 A E + 0 0 113 -2,-0.4 2,-0.3 30,-0.2 -19,-0.2 -0.392 34.0 165.0 -72.5 146.6 4.7 31.5 10.9 22 22 A G - 0 0 13 -21,-0.8 28,-0.1 2,-0.2 27,-0.0 -0.915 40.8-123.7-147.2 165.5 1.6 33.5 11.6 23 23 A G S S+ 0 0 74 -2,-0.3 27,-0.1 26,-0.3 -21,-0.1 0.552 72.2 112.8 -96.8 -1.9 0.7 35.4 14.8 24 24 A G S S- 0 0 14 1,-0.1 2,-0.5 -23,-0.1 -2,-0.2 -0.246 73.2-108.4 -70.4 154.9 -2.6 33.7 15.5 25 25 A T - 0 0 80 1,-0.0 41,-0.5 7,-0.0 2,-0.5 -0.742 26.3-131.0 -87.8 128.7 -3.0 31.4 18.5 26 26 A L E -F 65 0B 8 -2,-0.5 7,-2.6 39,-0.2 2,-0.4 -0.648 30.7-174.8 -77.5 125.6 -3.3 27.7 17.7 27 27 A V E +FG 64 32B 32 37,-2.7 37,-2.7 -2,-0.5 2,-0.3 -0.949 12.4 171.5-124.9 144.3 -6.3 26.2 19.5 28 28 A C E > S+ G 0 31B 0 3,-2.6 3,-1.4 -2,-0.4 -17,-0.2 -0.974 70.1 6.0-150.0 137.1 -7.5 22.6 19.7 29 29 A C T 3 S- 0 0 54 33,-0.4 3,-0.1 -2,-0.3 34,-0.1 0.846 130.0 -58.8 59.4 36.1 -10.2 21.1 22.0 30 30 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.662 120.8 91.9 70.5 15.5 -11.2 24.6 23.2 31 31 A E E < S-G 28 0B 74 -3,-1.4 -3,-2.6 0, 0.0 -1,-0.2 -0.975 83.3 -95.5-141.9 152.7 -7.7 25.3 24.6 32 32 A D E -G 27 0B 99 -2,-0.3 -22,-0.3 -5,-0.2 -5,-0.3 -0.452 43.6-118.3 -66.8 133.0 -4.5 26.9 23.5 33 33 A M - 0 0 11 -7,-2.6 2,-0.5 -2,-0.2 -24,-0.2 -0.365 29.2-121.0 -69.0 153.1 -1.9 24.4 22.1 34 34 A V E -B 8 0A 56 -26,-3.0 -26,-2.5 -2,-0.1 2,-0.2 -0.864 17.4-121.1-105.2 129.5 1.3 24.2 24.1 35 35 A K E B 7 0A 109 -2,-0.5 -28,-0.2 -28,-0.2 -30,-0.0 -0.449 360.0 360.0 -69.0 133.6 4.7 24.9 22.5 36 36 A Q 0 0 136 -30,-3.1 -1,-0.1 -2,-0.2 -29,-0.1 0.697 360.0 360.0 -91.4 360.0 7.0 21.9 22.8 37 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 1 B A 0 0 23 0, 0.0 21,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 174.6 -6.8 15.9 11.7 39 2 B N > - 0 0 101 19,-0.2 3,-2.1 1,-0.1 16,-0.3 -0.676 360.0 -82.5-105.9 153.1 -4.7 13.1 10.3 40 3 B E T 3 S+ 0 0 143 1,-0.3 16,-0.2 -2,-0.2 -1,-0.1 -0.126 114.7 19.3 -51.1 135.9 -0.8 12.6 10.1 41 4 B G T 3 S+ 0 0 43 14,-3.2 -1,-0.3 1,-0.3 15,-0.1 0.243 90.7 137.9 86.9 -17.1 0.9 14.4 7.2 42 5 B D < - 0 0 29 -3,-2.1 13,-2.9 13,-0.1 2,-0.5 -0.385 44.3-145.4 -65.4 144.0 -2.1 16.8 6.7 43 6 B V E -D 54 0A 45 30,-0.5 30,-2.9 11,-0.2 2,-0.4 -0.947 16.6-172.4-111.9 128.8 -1.3 20.4 6.0 44 7 B Y E -DE 53 72A 41 9,-2.7 9,-2.6 -2,-0.5 2,-0.4 -0.959 4.2-160.8-123.9 142.9 -3.7 23.1 7.4 45 8 B K E -DE 52 71A 73 26,-2.5 26,-3.0 -2,-0.4 2,-0.7 -0.946 17.5-138.6-123.0 139.5 -3.6 26.9 6.7 46 9 B C > - 0 0 3 5,-2.7 4,-1.8 -2,-0.4 5,-0.1 -0.874 15.6-159.2 -88.6 116.1 -5.2 29.8 8.6 47 10 B E T 4 S+ 0 0 120 -2,-0.7 -1,-0.1 2,-0.2 23,-0.1 0.750 85.3 54.3 -68.3 -20.8 -6.5 32.1 5.8 48 11 B L T 4 S+ 0 0 110 17,-0.2 -1,-0.2 1,-0.1 18,-0.1 0.964 125.9 14.8 -80.3 -48.1 -6.6 35.1 8.1 49 12 B C T 4 S- 0 0 42 2,-0.1 -26,-0.3 16,-0.0 -2,-0.2 0.414 97.0-121.8-108.7 -0.0 -3.0 35.2 9.3 50 13 B G < + 0 0 24 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.459 54.0 155.8 77.1 6.6 -1.3 32.8 6.8 51 14 B Q - 0 0 0 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.4 -0.436 23.7-163.6 -71.4 135.6 -0.0 30.4 9.5 52 15 B V E -CD 20 45A 27 -32,-2.1 -33,-2.9 -7,-0.2 -32,-1.7 -0.982 8.6-178.4-123.6 131.4 0.5 26.9 8.1 53 16 B V E -CD 18 44A 0 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.890 16.9-147.3-125.1 155.0 0.9 23.7 10.2 54 17 B K E -CD 17 43A 87 -37,-2.2 -37,-2.6 -2,-0.3 2,-0.4 -0.987 26.4-119.2-119.8 134.5 1.5 20.1 9.3 55 18 B V E +C 16 0A 1 -13,-2.9 -14,-3.2 -2,-0.4 -39,-0.3 -0.625 32.5 172.4 -76.0 123.8 0.0 17.4 11.5 56 19 B L E S+ 0 0 70 -41,-2.9 2,-0.4 -2,-0.4 -40,-0.2 0.747 75.6 19.5 -98.8 -35.3 2.7 15.1 13.1 57 20 B E E S-C 15 0A 118 -42,-1.7 -42,-2.2 -18,-0.1 -1,-0.4 -0.990 88.3-123.1-137.9 127.6 0.5 13.1 15.5 58 21 B E + 0 0 119 -2,-0.4 2,-0.3 -44,-0.2 -19,-0.2 -0.305 30.9 173.4 -72.8 157.1 -3.3 12.9 14.8 59 22 B G - 0 0 5 -21,-1.1 -46,-0.1 2,-0.2 -47,-0.0 -0.955 39.5-119.3-154.1 160.0 -5.9 13.9 17.4 60 23 B G S S+ 0 0 76 -2,-0.3 2,-0.1 -48,-0.3 -21,-0.1 0.550 79.2 105.0 -84.3 -4.9 -9.7 14.2 17.1 61 24 B G S S- 0 0 9 -23,-0.1 2,-0.4 1,-0.1 -2,-0.2 -0.384 75.5-114.2 -76.3 156.5 -9.8 18.0 17.9 62 25 B T - 0 0 84 -2,-0.1 -33,-0.4 1,-0.0 2,-0.4 -0.770 28.5-123.2 -92.0 129.8 -10.4 20.6 15.2 63 26 B L - 0 0 5 -2,-0.4 7,-2.4 -35,-0.1 2,-0.4 -0.586 34.2-174.0 -74.3 125.5 -7.4 22.9 14.6 64 27 B V E +FH 27 69B 29 -37,-2.7 -37,-2.7 -2,-0.4 2,-0.3 -0.949 11.4 175.0-122.0 144.0 -8.4 26.6 15.1 65 28 B C E > S+FH 26 68B 0 3,-2.6 3,-2.1 -2,-0.4 -17,-0.2 -0.979 71.7 4.6-147.4 137.8 -6.4 29.8 14.4 66 29 B C T 3 S- 0 0 51 -41,-0.5 -1,-0.1 -2,-0.3 -40,-0.1 0.896 132.3 -58.3 55.2 40.8 -7.5 33.4 14.7 67 30 B G T 3 S+ 0 0 74 -42,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.430 119.6 86.5 74.7 -3.9 -10.9 32.1 16.0 68 31 B E E < S-H 65 0B 92 -3,-2.1 -3,-2.6 1,-0.0 -1,-0.1 -0.908 85.6 -83.7-132.7 163.7 -11.8 30.0 13.0 69 32 B D E -H 64 0B 105 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.0 -0.353 45.6-121.8 -58.2 124.9 -11.2 26.5 11.6 70 33 B M - 0 0 10 -7,-2.4 2,-0.5 -2,-0.1 -24,-0.2 -0.356 29.4-119.2 -63.8 148.2 -7.9 26.1 9.8 71 34 B V E -E 45 0A 54 -26,-3.0 -26,-2.5 -2,-0.0 2,-0.1 -0.844 18.8-124.1 -99.8 125.7 -8.4 25.0 6.2 72 35 B K E E 44 0A 115 -2,-0.5 -28,-0.3 -28,-0.2 -30,-0.0 -0.426 360.0 360.0 -66.3 136.6 -7.0 21.7 5.0 73 36 B Q 0 0 150 -30,-2.9 -30,-0.5 -2,-0.1 -1,-0.0 -0.792 360.0 360.0-101.1 360.0 -4.7 22.1 1.9